pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.69	AttenGpKa training set	1	0	Cc1[nH+]n(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)c(C)c1C	Cc1nn(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)c(C)c1C	mol25594	Cc1nn(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)c(C)c1C